(NE)-N-[5-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenyl]sulfanylinden-1-ylidene]hydroxylamine

Systemtic Name: (NE)-N-[5-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenyl]sulfanylinden-1-ylidene]hydroxylamine Openeye Name: 5-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]sulfanylinden-1-one oxime CAS Name: 5-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenyl]thio]-1-indenone oxime IUPAC Name: (NE)-N-[5-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylinden-1-ylidene]hydroxylamine Traditional Name: 5-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]thio]inden-1-one oxime Formula: C21H20FNO3S MolecularWeight: 385.451803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(CCOCC1)C2=CC(=CC(=C2)SC3=CC4=C(C=C3)C(=NO)C=C4)F

Isomeric SMILES

COC1(CCOCC1)C2=CC(=CC(=C2)SC3=CC4=C(C=C3)/C(=N/O)/C=C4)F

InChI

InChI=1S/C21H20FNO3S/c1-25-21(6-8-26-9-7-21)15-11-16(22)13-18(12-15)27-17-3-4-19-14(10-17)2-5-20(19)23-24/h2-5,10-13,24H,6-9H2,1H3/b23-20+